3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C21H17ClN2O2 — CID 58452352

IUPAC3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc3ccccc3c2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C21H17ClN2O2/c22-18-8-9-19(24-21(18)26)17(12-16-7-10-20(25)23-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8-9,11-12,16H,7,10H2,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1
InChIKeyXBDFOQCSYWQFRD-QRYYFKOISA-N
MW364.83 g/mol
LogP3.89
Rot. Bonds3

About 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452352) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452352
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc3ccccc3c2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C21H17ClN2O2/c22-18-8-9-19(24-21(18)26)17(12-16-7-10-20(25)23-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8-9,11-12,16H,7,10H2,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1
InChIKeyXBDFOQCSYWQFRD-QRYYFKOISA-N
XLogP3.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452352) is 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(\c2ccc3ccccc3c2)c2ccc(Cl)c(=O)[nH]2)N1.
What is the InChIKey of 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is XBDFOQCSYWQFRD-QRYYFKOISA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-8-9-19(24-21(18)26)17(12-16-7-10-20(25)23-16)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8-9,11-12,16H,7,10H2,(H,23,25)(H,24,26)/b17-12+/t16-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 364.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).